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New synthesis of a late-stage tetracyclic key intermediate of lumateperone

Mátyás Milen, Bálint Nyulasi, Tamás Nagy, Gyula Simig and Balázs Volk

Beilstein J. Org. Chem. 2022, 18, 653–659. https://doi.org/10.3762/bjoc.18.66

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Chemical structure C<sub>15</sub>H<sub>16</sub>N<sub>2</sub>

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Extracted from

Scheme 5

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₅H₁₆N₂
Molecular Weight	224.30 g/mol
Exact Mass	224.1313 Da
InChI	InChI=1S/C15H16N2/c1-2-6-13(7-3-1)12-17-11-10-16-14-8-4-5-9-15(14)17/h1-9,16H,10-12H2
InChIKey	QDTKGICRPUUWCY-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)CN2CCNC3=C2C=CC=C3
Number of Atoms	33
Number of H-Bond Acceptors	2
Number of H-Bond Donors	1
Atoms in the Largest π-System	8
XLogP	2.3

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